tert-butyl (2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-(4-benzyloxy-3-iodo-phenyl)propanoate CAS Name: (2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(4-benzoxy-3-iodo-phenyl)-2-(benzyloxycarbonylamino)propionic acid tert-butyl ester Formula: C28H30INO5 MolecularWeight: 587.44597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)I)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)I)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30INO5/c1-28(2,3)35-26(31)24(30-27(32)34-19-21-12-8-5-9-13-21)17-22-14-15-25(23(29)16-22)33-18-20-10-6-4-7-11-20/h4-16,24H,17-19H2,1-3H3,(H,30,32)/t24-/m0/s1